4-bromo-5-chloro-2-iodothiophene-3-carbaldehyde

C5HBrClIOS — CID 90092888

IUPAC4-bromo-5-chloro-2-iodothiophene-3-carbaldehyde
SMILESO=Cc1c(I)sc(Cl)c1Br
InChIInChI=1S/C5HBrClIOS/c6-3-2(1-9)5(8)10-4(3)7/h1H
InChIKeyDKMFAARXEQOESI-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.58
Rot. Bonds1

About 4-bromo-5-chloro-2-iodothiophene-3-carbaldehyde

4-bromo-5-chloro-2-iodothiophene-3-carbaldehyde (PubChem CID 90092888) has the molecular formula C5HBrClIOS and a molecular weight of 351.39 g/mol. Its IUPAC name is 4-bromo-5-chloro-2-iodothiophene-3-carbaldehyde.

Molecular Properties

Compound Name4-bromo-5-chloro-2-iodothiophene-3-carbaldehyde
PubChem CID90092888
Molecular FormulaC5HBrClIOS
Molecular Weight351.39 g/mol
Exact Mass349.77
IUPAC Name4-bromo-5-chloro-2-iodothiophene-3-carbaldehyde
SMILESO=Cc1c(I)sc(Cl)c1Br
InChIInChI=1S/C5HBrClIOS/c6-3-2(1-9)5(8)10-4(3)7/h1H
InChIKeyDKMFAARXEQOESI-UHFFFAOYSA-N
XLogP3.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-2-iodothiophene-3-carbaldehyde?
The IUPAC name of 4-bromo-5-chloro-2-iodothiophene-3-carbaldehyde (CID 90092888) is 4-bromo-5-chloro-2-iodothiophene-3-carbaldehyde.
What is the SMILES notation for 4-bromo-5-chloro-2-iodothiophene-3-carbaldehyde?
The canonical SMILES for 4-bromo-5-chloro-2-iodothiophene-3-carbaldehyde is O=Cc1c(I)sc(Cl)c1Br.
What is the InChIKey of 4-bromo-5-chloro-2-iodothiophene-3-carbaldehyde?
The InChIKey is DKMFAARXEQOESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HBrClIOS/c6-3-2(1-9)5(8)10-4(3)7/h1H.
What are the key properties of 4-bromo-5-chloro-2-iodothiophene-3-carbaldehyde?
4-bromo-5-chloro-2-iodothiophene-3-carbaldehyde has a molecular weight of 351.39 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-2-iodothiophene-3-carbaldehyde is sourced from PubChem (CID 90092888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).